2-[4-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]-5-undecyl-pyrimidine

Systemtic Name: 2-[4-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]-5-undecyl-pyrimidine Openeye Name: 2-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]-5-undecylpyrimidine IUPAC Name: 2-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]-5-undecylpyrimidine Traditional Name: 2-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]-5-undecyl-pyrimidine Formula: C27H29F13N2 MolecularWeight: 628.511802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C27H29F13N2/c1-2-3-4-5-6-7-8-9-10-11-18-16-41-21(42-17-18)19-12-14-20(15-13-19)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h12-17H,2-11H2,1H3